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	hartrees
Energy at 0K	-216.962149
Energy at 298.15K
HF Energy	-216.019483
Nuclear repulsion energy	117.153859

Atom	x (Å)	y (Å)	z (Å)
C1	-0.939	-0.207	0.000
C2	0.000	0.947	0.000
C3	1.320	0.843	0.000
F4	-0.266	-1.406	0.000
H5	1.943	1.721	0.000
H6	1.801	-0.120	0.000
H7	-0.474	1.918	0.000
H8	-1.577	-0.183	0.882
H9	-1.577	-0.183	-0.882

	C1	C2	C3	F4	H5	H6	H7	H8	H9
C1		1.4886	2.4912	1.3746	3.4678	2.7420	2.1761	1.0884	1.0884
C2	1.4886		1.3236	2.3682	2.0911	2.0936	1.0806	2.1316	2.1316
C3	2.4912	1.3236		2.7517	1.0766	1.0766	2.0913	3.1972	3.1972
F4	1.3746	2.3682	2.7517		3.8284	2.4347	3.3308	1.9975	1.9975
H5	3.4678	2.0911	1.0766	3.8284		1.8462	2.4250	4.0981	4.0981
H6	2.7420	2.0936	1.0766	2.4347	1.8462		3.0547	3.4921	3.4921
H7	2.1761	1.0806	2.0913	3.3308	2.4250	3.0547		2.5322	2.5322
H8	1.0884	2.1316	3.1972	1.9975	4.0981	3.4921	2.5322		1.7632
H9	1.0884	2.1316	3.1972	1.9975	4.0981	3.4921	2.5322	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.612	C1	C2	H7	114.844
C2	C1	F4	111.545	C2	C1	H8	110.660
C2	C1	H9	110.660	C2	C3	H5	120.853
C2	C3	H6	121.094	C3	C2	H7	120.545
F4	C1	H8	107.825	F4	C1	H9	107.825
H5	C3	H6	118.053

All results from a given calculation for CH₂CHCH₂F (Allyl Fluoride)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2CHCH2F (Allyl Fluoride)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHCH₂F (Allyl Fluoride)